Crystallography Open Database

Information card for entry 4518613

Preview

Coordinates	4518613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H45 B F48 N3 Ni O
Calculated formula	C91 H45 B F48 N3 Ni O
Title of publication	The Impact of Charge in a Ni(II) Polymerization Catalyst
Authors of publication	Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	5358 - 5368
a	44.1023 ± 0.0014 Å
b	11.9357 ± 0.0004 Å
c	37.7488 ± 0.001 Å
α	90°
β	107.621 ± 0.002°
γ	90°
Cell volume	18938.3 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518613.html